ChemSpider 2D Image | Capsanthon | C40H54O3

Capsanthon

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID10381881

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,5'R)-3-Hydroxy-β,κ-carotene-3',6'-dione [ACD/IUPAC Name]
(3R,5'R)-3-Hydroxy-β,κ-carotène-3',6'-dione [French] [ACD/IUPAC Name]
(3R,5'R)-3-Hydroxy-β,κ-carotin-3',6'-dion [German] [ACD/IUPAC Name]
Capsanthon
Capsanthone
β,κ-Carotene-3',6'-dione, 3-hydroxy-, (3R,5'R)- [ACD/Index Name]
28368-01-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 725.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 406.5±29.4 °C
Index of Refraction: 1.558
Molar Refractivity: 186.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.50
ACD/LogD (pH 5.5): 8.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1697149.50
ACD/LogD (pH 7.4): 8.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1697149.50
Polar Surface Area: 54 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 577.0±3.0 cm3

Click to predict properties on the Chemicalize site


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